Tetrabutylammonium borohydride(33725-74-5) Raman

Product NameTetrabutylammonium borohydride

CAS 33725-74-5

Molecular FormulaC16H40BN

Molecular Weight257.31

InChIInChI=1S/C16H36N.BH4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H4/q+1;-1

InChIKey GMBOFJFPOCGSOI-UHFFFAOYSA-N

Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[BH4-]

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Mass

MS-NW-8855          
tetrabutylammonium borohydride
C16H40BN            (Mass of molecular ion:    257)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.2
      27.0       5.4
      28.0       6.2
      29.0      16.3
      30.0       4.6
      39.0       2.6
      40.0       1.0
      41.0      15.3
      42.0       6.8
      43.0      26.3
      44.0       6.8
      54.0       1.6
      55.0       4.0
      56.0       4.9
      57.0      13.5
      58.0       8.8
      70.0       1.5
      72.0       1.0
      82.0       1.3
      84.0       2.2
      86.0       2.7
      95.0       2.3
      96.0       9.4
      97.0       1.5
      98.0       6.1
     100.0      31.2
     101.0       2.2
     122.0       1.1
     124.0       1.6
     128.0       1.0
     138.0       3.6
     139.0       1.0
     140.0       3.3
     142.0     100.0
     143.0      10.3
     154.0       2.0
     184.0       1.8
     185.0       7.8
     186.0       1.1
     194.0       3.8
     195.0       6.4
     196.0      21.2
     197.0       3.6
     198.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₄₀ B N	0.042 g : 0.5 ml CDCl₃
tetrabutylammonium borohydride

    Assign.     Shift(ppm)

      A             3.32
      B             1.65
      C             1.42
      D             1.01
      E             0.289

     Hz     ppm     Int.

    306.59   3.424    166
    299.76   3.348    208
    297.02   3.317    154
    296.08   3.306    152
    295.23   3.297    147
    294.63   3.290    147
    290.19   3.241    236
    165.00   1.843     47
    163.81   1.830     46
    158.85   1.774    110
    157.74   1.762    105
    157.14   1.755    107
    156.71   1.750    107
    152.53   1.704    162
    150.90   1.685    156
    149.54   1.670    160
    149.19   1.666    159
    145.01   1.620    203
    139.37   1.557    279
    136.04   1.519    201
    134.67   1.504    216
    133.90   1.496    215
    127.23   1.421    169
    125.95   1.407    170
    122.45   1.368    389
    119.71   1.337    134
    112.88   1.261     54
     96.04   1.073    503
     89.81   1.003   1000
     83.57   0.934    174
     82.29   0.919    247
     80.66   0.901    119
     54.94   0.614     34
     40.93   0.458    287
     27.60   0.309     37
    -26.91  -0.300     35
    -40.58  -0.453    277
    -81.51  -0.910     41
   -122.01  -1.362    274

in CDCl3